6-amino-4-(3,5-dichloro-2-methoxyphenyl)-3-naphthalen-1-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile

C24H16Cl2N4O2 — CID 43819115

IUPAC6-amino-4-(3,5-dichloro-2-methoxyphenyl)-3-naphthalen-1-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
SMILESCOc1c(Cl)cc(Cl)cc1C1C(C#N)=C(N)Oc2n[nH]c(-c3cccc4ccccc34)c21
InChIInChI=1S/C24H16Cl2N4O2/c1-31-22-16(9-13(25)10-18(22)26)19-17(11-27)23(28)32-24-20(19)21(29-30-24)15-8-4-6-12-5-2-3-7-14(12)15/h2-10,19H,28H2,1H3,(H,29,30)
InChIKeyLXHHSKKEXBECQS-UHFFFAOYSA-N
MW463.32 g/mol
LogP5.76
Rot. Bonds3

About 6-amino-4-(3,5-dichloro-2-methoxyphenyl)-3-naphthalen-1-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile

6-amino-4-(3,5-dichloro-2-methoxyphenyl)-3-naphthalen-1-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile (PubChem CID 43819115) has the molecular formula C24H16Cl2N4O2 and a molecular weight of 463.32 g/mol. Its IUPAC name is 6-amino-4-(3,5-dichloro-2-methoxyphenyl)-3-naphthalen-1-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile.

Molecular Properties

Compound Name6-amino-4-(3,5-dichloro-2-methoxyphenyl)-3-naphthalen-1-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
PubChem CID43819115
Molecular FormulaC24H16Cl2N4O2
Molecular Weight463.32 g/mol
Exact Mass462.07
IUPAC Name6-amino-4-(3,5-dichloro-2-methoxyphenyl)-3-naphthalen-1-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
SMILESCOc1c(Cl)cc(Cl)cc1C1C(C#N)=C(N)Oc2n[nH]c(-c3cccc4ccccc34)c21
InChIInChI=1S/C24H16Cl2N4O2/c1-31-22-16(9-13(25)10-18(22)26)19-17(11-27)23(28)32-24-20(19)21(29-30-24)15-8-4-6-12-5-2-3-7-14(12)15/h2-10,19H,28H2,1H3,(H,29,30)
InChIKeyLXHHSKKEXBECQS-UHFFFAOYSA-N
XLogP5.76
TPSA96.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.32
LogP ≤ 55.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-amino-4-(3,5-dichloro-2-methoxyphenyl)-3-phenyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 43819104
(4R)-6-amino-4-(2,5-dimethoxyphenyl)-3-naphthalen-1-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 1212680
(4S)-6-amino-4-(3,5-dichloro-2-methoxyphenyl)-3-(3,4-dimethoxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 1202631
6-amino-3-(4-methoxyphenyl)-4-naphthalen-1-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 11838537
(4R)-6-amino-4-(4-ethylphenyl)-3-naphthalen-1-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 40552727
(4R)-6-amino-4-(2-bromo-4,5-dimethoxyphenyl)-3-(2-chlorophenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 1322829
(4R)-6-amino-4-(3-bromo-4-fluorophenyl)-3-naphthalen-1-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 1340143
6-amino-4-(2,4-dichlorophenyl)-3-(3,4,5-trimethoxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile;ethanol
CID 126477419
(4S)-6-amino-4-(2,4-dichlorophenyl)-3-(3-methoxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 1402428
(4R)-6-amino-4-(2,3-dichlorophenyl)-3-(2,5-dimethoxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 1087954
(4S)-6-amino-4-(2-chloro-6-fluorophenyl)-3-(3,4,5-trimethoxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 1212319
(4R)-6-amino-4-(2-chloro-6-fluorophenyl)-3-(3,4,5-trimethoxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 1212318

Frequently Asked Questions

What is the IUPAC name of 6-amino-4-(3,5-dichloro-2-methoxyphenyl)-3-naphthalen-1-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
The IUPAC name of 6-amino-4-(3,5-dichloro-2-methoxyphenyl)-3-naphthalen-1-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile (CID 43819115) is 6-amino-4-(3,5-dichloro-2-methoxyphenyl)-3-naphthalen-1-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile.
What is the SMILES notation for 6-amino-4-(3,5-dichloro-2-methoxyphenyl)-3-naphthalen-1-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
The canonical SMILES for 6-amino-4-(3,5-dichloro-2-methoxyphenyl)-3-naphthalen-1-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile is COc1c(Cl)cc(Cl)cc1C1C(C#N)=C(N)Oc2n[nH]c(-c3cccc4ccccc34)c21.
What is the InChIKey of 6-amino-4-(3,5-dichloro-2-methoxyphenyl)-3-naphthalen-1-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
The InChIKey is LXHHSKKEXBECQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16Cl2N4O2/c1-31-22-16(9-13(25)10-18(22)26)19-17(11-27)23(28)32-24-20(19)21(29-30-24)15-8-4-6-12-5-2-3-7-14(12)15/h2-10,19H,28H2,1H3,(H,29,30).
What are the key properties of 6-amino-4-(3,5-dichloro-2-methoxyphenyl)-3-naphthalen-1-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
6-amino-4-(3,5-dichloro-2-methoxyphenyl)-3-naphthalen-1-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile has a molecular weight of 463.32 g/mol, XLogP of 5.76, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-4-(3,5-dichloro-2-methoxyphenyl)-3-naphthalen-1-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile is sourced from PubChem (CID 43819115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).